Molecular Properties | |
SMILES: | CN(C)S(=O)(=O)NCC1(C(=O)Nc2cncc3ccccc23)CCOc2ccc(Cl)cc21 |
MW: | 474.11 |
Fraction sp3: | 0.27 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 100.63 |
cLogP: | 2.94 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 2.72507532764904 |
Order Status | |
Ordered: | 2021-03-30 |
Synthesis Location: | enamine |
Shipped: | 2021-05-06 |
Long aliphatic chain
Hetero_hetero
MAT-POS-e6dd326d-4
0.844
MAT-POS-e6dd326d-2
0.800
MAT-POS-45b13633-2
0.800
MAT-POS-e6dd326d-9
0.766
EDJ-MED-f893e2a1-8
0.766
EDJ-MED-424a8a89-2
0.758
EDJ-MED-15e90dfc-7
0.755
MAT-POS-e6dd326d-12
0.750
MAT-POS-e6dd326d-13
0.745
RAL-THA-e002e396-7
0.742
MAT-POS-e6dd326d-6
0.742
MAT-POS-e6dd326d-7
0.737
EDJ-MED-4c7486ba-1
0.737
EDJ-MED-4c7486ba-4
0.737
EDG-MED-70ae9412-2
0.737
RAL-THA-e002e396-1
0.737
RAL-THA-e002e396-2
0.737
MAT-POS-e6dd326d-8
0.732
MAT-POS-e6dd326d-11
0.732
DAR-DIA-ecdbc7dd-16
0.727
MAT-POS-e6dd326d-10
0.727
DAR-DIA-6a508060-13
0.727
EDJ-MED-424a8a89-1
0.727
EDJ-MED-15e90dfc-3
0.727
MAT-POS-45b13633-3
0.726
MAT-POS-e6dd326d-3
0.726
EDJ-MED-8c98ee63-1
0.723
EDG-MED-971238d3-2
0.720
MAT-POS-9db1e783-2
0.720
RAL-THA-58fba2bc-3
0.716
EDG-MED-971238d3-3
0.716
RAL-THA-e002e396-5
0.714
EDJ-MED-f893e2a1-9
0.713
MAT-POS-e6dd326d-1
0.713
EDG-MED-971238d3-5
0.713
MAT-POS-2bb0cf2b-1
0.713
MAT-POS-45b13633-1
0.713
MAT-POS-f9802937-5
0.711
MAT-POS-f9802937-6
0.711
RAL-THA-e002e396-6
0.711
MAT-POS-5d65ec79-2
0.711
EDJ-MED-40433386-10
0.710
MAT-POS-f9802937-4
0.704
MAT-POS-5d65ec79-1
0.704
MAT-POS-f9802937-3
0.704
EDJ-MED-f893e2a1-3
0.703
RAL-THA-e002e396-11
0.701
RAL-THA-e002e396-8
0.700
JAG-UCB-706446eb-3
0.698
EDG-MED-971238d3-9
0.698
EDG-MED-971238d3-10
0.698
MAT-POS-45b13633-4
0.698
RAL-THA-58fba2bc-1
0.698
EDG-MED-971238d3-6
0.698
ALP-POS-477dc5b7-3
0.697
EDJ-MED-15e90dfc-5
0.696
EDJ-MED-40433386-4
0.696
EDJ-MED-f893e2a1-10
0.692
EDJ-MED-40433386-5
0.692
EDJ-MED-f893e2a1-4
0.692
DAR-DIA-ecdbc7dd-13
0.691
EDJ-MED-15e90dfc-2
0.689
EDJ-MED-15e90dfc-6
0.689
KAD-UNI-b13decd3-3
0.689
MAT-POS-24589f88-12
0.689
MAT-POS-45b13633-5
0.687
EDJ-MED-28ec730d-2
0.687
MAT-POS-e6dd326d-14
0.686
MAT-POS-3b97339c-1
0.683
EDJ-MED-40433386-3
0.683
EDJ-MED-4c7486ba-9
0.683
EDJ-MED-4c7486ba-12
0.683
EDJ-MED-40433386-7
0.683
RAL-THA-e002e396-12
0.680
ALP-UNI-0676e700-29
0.679
EDG-MED-971238d3-8
0.677
DAR-DIA-ecdbc7dd-4
0.677
EDG-MED-971238d3-7
0.677
EDJ-MED-40433386-8
0.673
EDJ-MED-8c98ee63-2
0.673
ALP-UNI-0676e700-24
0.673
KAD-UNI-b13decd3-9
0.673
RAL-THA-e002e396-3
0.670
EDJ-MED-15e90dfc-1
0.670
EDJ-MED-15e90dfc-4
0.670
EDJ-MED-f893e2a1-2
0.670
EDJ-MED-f893e2a1-1
0.670
EDJ-MED-28ec730d-1
0.667
ALP-UNI-0676e700-16
0.664
DAR-DIA-ecdbc7dd-3
0.663
KAD-UNI-cb0f2bbc-23
0.661
MAT-POS-24589f88-13
0.661
MAT-POS-7174c657-1
0.661
ALP-UNI-0676e700-19
0.661
KAD-UNI-8a629cb0-41
0.661
JAG-UCB-706446eb-2
0.660
JAG-UCB-706446eb-4
0.660
KAD-UNI-80f122c8-5
0.658
EDJ-MED-4c7486ba-8
0.658
EDJ-MED-40433386-2
0.658